![X5Y X5Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X5Y.svg) | X5Y | 表記: | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X6J X6J](https://data.pdbj.org/pdbjplus/data/cc/svg/X6J.svg) | X6J | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | C(C(Cc1cccc2ccccc12)NC(OC(C)(C)C)=O)SC(C(=O)NCCCc3cccnc3)Cc4ccccc4 | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X6S X6S](https://data.pdbj.org/pdbjplus/data/cc/svg/X6S.svg) | X6S | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | C(C(=O)NCCCc1cnccc1)(Cc2ccccc2)SCC(Cc4c3c(cccc3)ccc4)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X6V X6V](https://data.pdbj.org/pdbjplus/data/cc/svg/X6V.svg) | X6V | 表記: | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C33 H40 N4 O3 S | SMILES: | C(SCC(Cc2c1c(cccc1)nc2)NC(OC(C)(C)C)=O)(C(=O)NCCCc3cnccc3)Cc4ccccc4 | InChi: | InChI=1S/C33H40N4O3S/c1-33(2,3)40-32(39)37-27(20-26-22-36-29-16-8-7-15-28(26)29)23-41-30(19-24-11-5-4-6-12-24)31(38)35-18-10-14-25-13-9-17-34-21-25/h4-9,11-13,15-17,21-22,27,30,36H,10,14,18-20,23H2,1-3H3,(H,35,38)(H,37,39)/t27-,30+/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X71 X71](https://data.pdbj.org/pdbjplus/data/cc/svg/X71.svg) | X71 | 表記: | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C32 H41 N3 O3 S | SMILES: | C(c1ccccc1)C(C(=O)NCCCc2cnccc2)CSCC(NC(OC(C)(C)C)=O)Cc3ccccc3 | InChi: | InChI=1S/C32H41N3O3S/c1-32(2,3)38-31(37)35-29(21-26-14-8-5-9-15-26)24-39-23-28(20-25-12-6-4-7-13-25)30(36)34-19-11-17-27-16-10-18-33-22-27/h4-10,12-16,18,22,28-29H,11,17,19-21,23-24H2,1-3H3,(H,34,36)(H,35,37)/t28-,29-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2R)-2-benzyl-3-oxo-3-{[3-(pyridin-3-yl)propyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X74 X74](https://data.pdbj.org/pdbjplus/data/cc/svg/X74.svg) | X74 | 表記: | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | CC(OC(NC(CSC(C(NCCCc1cnccc1)=O)Cc2ccccc2)Cc3cccc4c3cccc4)=O)(C)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-(naphthalen-1-yl)-3-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7D X7D](https://data.pdbj.org/pdbjplus/data/cc/svg/X7D.svg) | X7D | 表記: | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate | 組成式: | C35 H41 N3 O3 S | SMILES: | CC(C)(OC(NC(Cc1cccc2c1cccc2)CSC(C(=O)NCCCc3cnccc3)Cc4ccccc4)=O)C | InChi: | InChI=1S/C35H41N3O3S/c1-35(2,3)41-34(40)38-30(23-29-18-9-17-28-16-7-8-19-31(28)29)25-42-32(22-26-12-5-4-6-13-26)33(39)37-21-11-15-27-14-10-20-36-24-27/h4-10,12-14,16-20,24,30,32H,11,15,21-23,25H2,1-3H3,(H,37,39)(H,38,40)/t30-,32-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-(naphthalen-1-yl)-3-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}propan-2-yl]carbamate |
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![X7J X7J](https://data.pdbj.org/pdbjplus/data/cc/svg/X7J.svg) | X7J | 表記: | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(C(Cc1ccccc1)NC(OC(C)(C)C)=O)SC(C(NCCCc2cnccc2)=O)Cc3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7M X7M](https://data.pdbj.org/pdbjplus/data/cc/svg/X7M.svg) | X7M | 表記: | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(C(C(=O)NCCCc1cnccc1)SCC(Cc2ccccc2)NC(=O)OC(C)(C)C)c3ccccc3 | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28-/m0/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2S)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![X7P X7P](https://data.pdbj.org/pdbjplus/data/cc/svg/X7P.svg) | X7P | 表記: | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | 組成式: | C31 H39 N3 O3 S | SMILES: | C(SC(C(NCCCc1cnccc1)=O)Cc2ccccc2)C(Cc3ccccc3)NC(OC(C)(C)C)=O | InChi: | InChI=1S/C31H39N3O3S/c1-31(2,3)37-30(36)34-27(20-24-12-6-4-7-13-24)23-38-28(21-25-14-8-5-9-15-25)29(35)33-19-11-17-26-16-10-18-32-22-26/h4-10,12-16,18,22,27-28H,11,17,19-21,23H2,1-3H3,(H,33,35)(H,34,36)/t27-,28+/m1/s1 | 定義日: | 2020-12-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate |
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![PWN PWN](https://data.pdbj.org/pdbjplus/data/cc/svg/PWN.svg) | PWN | 表記: | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid | 組成式: | C12 H12 N2 O4 | SMILES: | OC(=O)c1ccccc1C=NNC(=O)CCC=O | InChi: | InChI=1S/C12H12N2O4/c15-7-3-6-11(16)14-13-8-9-4-1-2-5-10(9)12(17)18/h1-2,4-5,7-8H,3,6H2,(H,14,16)(H,17,18)/b13-8+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
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![PWQ PWQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PWQ.svg) | PWQ | 表記: | 4-[[2-(4-oxidanylidenebutanoyl)hydrazinyl]methyl]benzoic acid | 組成式: | C12 H12 N2 O4 | SMILES: | OC(=O)c1ccc(cc1)C=NNC(=O)CCC=O | InChi: | InChI=1S/C12H12N2O4/c15-7-1-2-11(16)14-13-8-9-3-5-10(6-4-9)12(17)18/h3-8H,1-2H2,(H,14,16)(H,17,18)/b13-8+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 4-[(~{E})-(4-oxidanylidenebutanoylhydrazinylidene)methyl]benzoic acid |
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![PWT PWT](https://data.pdbj.org/pdbjplus/data/cc/svg/PWT.svg) | PWT | 表記: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid | 組成式: | C13 H16 N2 O4 | SMILES: | OC(=O)c1ccccc1CNNC(=O)CCCC=O | InChi: | InChI=1S/C13H16N2O4/c16-8-4-3-7-12(17)15-14-9-10-5-1-2-6-11(10)13(18)19/h1-2,5-6,8,14H,3-4,7,9H2,(H,15,17)(H,18,19) | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid |
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![PWW PWW](https://data.pdbj.org/pdbjplus/data/cc/svg/PWW.svg) | PWW | 表記: | 4-[[(~{E})-5-oxidanylidenepentanoyldiazenyl]methyl]benzoic acid | 組成式: | C13 H14 N2 O4 | SMILES: | OC(=O)c1ccc(cc1)C=NNC(=O)CCCC=O | InChi: | InChI=1S/C13H14N2O4/c16-8-2-1-3-12(17)15-14-9-10-4-6-11(7-5-10)13(18)19/h4-9H,1-3H2,(H,15,17)(H,18,19)/b14-9+ | 定義日: | 2020-04-30 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 4-[(~{E})-(5-oxidanylidenepentanoylhydrazinylidene)methyl]benzoic acid |
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![PXQ PXQ](https://data.pdbj.org/pdbjplus/data/cc/svg/PXQ.svg) | PXQ | 表記: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | 組成式: | C33 H42 N4 O6 | SMILES: | CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1 | 定義日: | 2020-05-01 | 最終更新日: | 2021-01-15 | 公開日: | 2021-01-20 | 識別子(ID): | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![V7D V7D](https://data.pdbj.org/pdbjplus/data/cc/svg/V7D.svg) | V7D | 表記: | 2,2-diamino-4-[(S)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(hydroxy)phosphanyl]butanoic acid | 組成式: | C16 H24 N3 O7 P | SMILES: | OC(=O)C(N)(N)CCP(Oc1ccccc1)OC(CC)C(NCC(O)=O)=O | InChi: | InChI=1S/C16H24N3O7P/c1-2-12(14(22)19-10-13(20)21)26-27(9-8-16(17,18)15(23)24)25-11-6-4-3-5-7-11/h3-7,12H,2,8-10,17-18H2,1H3,(H,19,22)(H,20,21)(H,23,24)/t12-,27-/m0/s1 | 定義日: | 2020-07-13 | 最終更新日: | 2021-01-12 | 公開日: | 2020-11-25 | 識別子(ID): | 2,2-diamino-4-[(R)-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}oxy)(phenoxy)phosphanyl]butanoic acid |
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![GZ9 GZ9](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ9.svg) | GZ9 | 表記: | (2S)-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2H-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid | 組成式: | C30 H41 N3 O5 | SMILES: | Cc1nc(NC(=O)NC2CCCCC2)c(C)c([CH](OC(C)(C)C)C(O)=O)c1c3ccc4OCCCc4c3C | InChi: | InChI=1S/C30H41N3O5/c1-17-21-13-10-16-37-23(21)15-14-22(17)25-19(3)31-27(33-29(36)32-20-11-8-7-9-12-20)18(2)24(25)26(28(34)35)38-30(4,5)6/h14-15,20,26H,7-13,16H2,1-6H3,(H,34,35)(H2,31,32,33,36)/t26-/m0/s1 | 定義日: | 2020-10-09 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | (2~{S})-2-[2-(cyclohexylcarbamoylamino)-3,6-dimethyl-5-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)pyridin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid |
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![H2L H2L](https://data.pdbj.org/pdbjplus/data/cc/svg/H2L.svg) | H2L | 表記: | 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea | 組成式: | C20 H19 N5 O3 S2 | SMILES: | O=C(Nc1sccn1)Nc2cccc(c2)[S](=O)(=O)NCCc3c[nH]c4ccccc34 | InChi: | InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26) | 定義日: | 2020-10-26 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 1-[3-[2-(1~{H}-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea |
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![H2R H2R](https://data.pdbj.org/pdbjplus/data/cc/svg/H2R.svg) | H2R | 表記: | N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide | 組成式: | C24 H23 F3 N4 O2 | SMILES: | FC(F)(F)c1ccc(Oc2cccc(CC3CCN(CC3)C(=O)Nc4cccnc4)c2)nc1 | InChi: | InChI=1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32) | 定義日: | 2020-10-27 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | ~{N}-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide |
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![OJB OJB](https://data.pdbj.org/pdbjplus/data/cc/svg/OJB.svg) | OJB | 表記: | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide | 組成式: | C19 H35 N3 O8 | SMILES: | CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O | InChi: | InChI=1S/C19H35N3O8/c1-3-14(25)20-8-6-9-21-15(26)7-4-5-10-29-19-16(22-12(2)24)18(28)17(27)13(11-23)30-19/h13,16-19,23,27-28H,3-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/t13-,16-,17+,18-,19-/m1/s1 | 定義日: | 2020-03-13 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide |
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![OQ5 OQ5](https://data.pdbj.org/pdbjplus/data/cc/svg/OQ5.svg) | OQ5 | 表記: | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid | 組成式: | C41 H76 N4 O12 | SMILES: | CCN(CC)C(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CCCCCCCCCCCCCCCCCCC(O)=O)C(O)=O | InChi: | InChI=1S/C41H76N4O12/c1-3-45(4-2)39(49)34-57-32-30-55-28-26-43-38(48)33-56-31-29-54-27-25-42-36(46)24-23-35(41(52)53)44-37(47)21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-40(50)51/h35H,3-34H2,1-2H3,(H,42,46)(H,43,48)(H,44,47)(H,50,51)(H,52,53)/t35-/m0/s1 | 定義日: | 2020-03-27 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid |
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![QKT QKT](https://data.pdbj.org/pdbjplus/data/cc/svg/QKT.svg) | QKT | 表記: | Diperodon (S-enantiomer) | 組成式: | C22 H27 N3 O4 | SMILES: | O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3 | InChi: | InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m0/s1 | 定義日: | 2020-06-23 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | [(2~{S})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate |
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![KQB KQB](https://data.pdbj.org/pdbjplus/data/cc/svg/KQB.svg) | KQB | 表記: | trifluoromagnesate monohydrate | 組成式: | F3 Mg O | SMILES: | O.F[Mg](F)F | InChi: | InChI=1S/3FH.Mg.H2O/h3*1H | 定義日: | 2019-06-17 | 最終更新日: | 2021-01-08 | 公開日: | 2020-07-15 | 識別子(ID): | tris(fluoranyl)-$l^{1}-oxidanyl-magnesium |
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![KTQ KTQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KTQ.svg) | KTQ | 表記: | ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine | 組成式: | C22 H20 N4 O3 | SMILES: | COc1ccc(CCNc2n3ccccc3nc2c4ccc(cc4)[N+]([O-])=O)cc1 | InChi: | InChI=1S/C22H20N4O3/c1-29-19-11-5-16(6-12-19)13-14-23-22-21(24-20-4-2-3-15-25(20)22)17-7-9-18(10-8-17)26(27)28/h2-12,15,23H,13-14H2,1H3 | 定義日: | 2019-06-21 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine |
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![R3H R3H](https://data.pdbj.org/pdbjplus/data/cc/svg/R3H.svg) | R3H | 表記: | tetrakis(oxidanyl)titanium | 組成式: | H4 O4 Ti | SMILES: | O[Ti](O)(O)O | InChi: | InChI=1S/4H2O.Ti/h4*1H2 | 定義日: | 2020-08-27 | 最終更新日: | 2021-01-08 | 公開日: | 2021-01-13 | 識別子(ID): | tetrakis(oxidanyl)titanium |
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